SCHEMBL9728845

SCHEMBL9728845

CN(C)c1ccc(C(NCCO)C(O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
AOC3 Q16853 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAN2A1 Q16706 2/20 0.39
MAN1B1 Q9UKM7 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HAT1 O14929 1/20 0.38
EP300 Q09472 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9729227 0.86 AOC3 (0.55) AOC3KDM4EALDH1A1MEN1KMT2A
SCHEMBL9728901 0.77 ALDH1A1 (0.54) AOC3KDM4EALDH1A1MEN1KMT2A
SCHEMBL9728886 0.77 CHRNA7 (0.35) CNR2AOC3KDM4EALDH1A1MEN1
SCHEMBL9729228 0.75 AOC3 (0.50) AOC3KDM4EALDH1A1MEN1KMT2A
SCHEMBL4651020 0.75 ALDH1A1 (0.44) AOC3KDM4EALDH1A1MEN1KMT2A
SCHEMBL4083083 0.75 AOC3 (0.53) AOC3KDM4EALDH1A1MEN1KMT2A
SCHEMBL9729174 0.74 AOC3 (0.49) AOC3KDM4EALDH1A1MAN2A1MAN1B1
SCHEMBL10523671 0.74 AOC3 (0.49) AOC3KDM4EALDH1A1MAN2A1MAN1B1
SCHEMBL9729965 0.73 AKT1 (0.43) CNR2AOC3KDM4EALDH1A1MEN1
SCHEMBL1446633 0.73 KDM4E (0.53) CNR2AOC3KDM4EALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4803200-A SHIPPING FEVER SYNDROME A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-07 US claimed
US-5171753-A Derivatives of 2-amino-1-phenylethanol having antiulcer activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-12-15 US disclosed
US-4803200-A SHIPPING FEVER SYNDROME A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-07 US disclosed